CID 3058908

Brn 5109891

Structural Information

Molecular Formula
C10H12N4O4S
SMILES
CN(C)N1C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)NC1=O
InChI
InChI=1S/C10H12N4O4S/c1-13(2)14-9(15)7-5-6(19(11,17)18)3-4-8(7)12-10(14)16/h3-5H,1-2H3,(H,12,16)(H2,11,17,18)
InChIKey
ALOBFJKPTJQBQW-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2,4-dioxo-1H-quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.05792 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06520 158.7
[M+Na]+ 307.04714 169.4
[M-H]- 283.05064 161.3
[M+NH4]+ 302.09174 172.8
[M+K]+ 323.02108 165.5
[M+H-H2O]+ 267.05518 151.7
[M+HCOO]- 329.05612 175.0
[M+CH3COO]- 343.07177 202.2
[M+Na-2H]- 305.03259 164.2
[M]+ 284.05737 161.8
[M]- 284.05847 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.